3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1H-benzimidazol-3-ium-2-amine

Systemtic Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1H-benzimidazol-3-ium-2-amine Openeye Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1H-benzimidazol-3-ium-2-amine CAS Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1H-benzimidazol-3-ium-2-amine IUPAC Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1H-benzimidazol-3-ium-2-amine Traditional Name: [3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1H-benzimidazol-3-ium-2-yl]amine Formula: C16H16N3O2+ MolecularWeight: 282.31714

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)[N+]3=C(NC4=CC=CC=C43)N)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)[N+]3=C(NC4=CC=CC=C43)N)OC1

InChI

InChI=1S/C16H15N3O2/c17-16-18-12-4-1-2-5-13(12)19(16)11-6-7-14-15(10-11)21-9-3-8-20-14/h1-2,4-7,10H,3,8-9H2,(H2,17,18)/p+1